Molecule ID: mol4545
SMILES: COc1ccc2sc(N)nc2c1
InChI: InChI=1S/C8H8N2OS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.29 | AttenGpKa training set | 1 » 0 |
| 4.35 | IUPAC digitized pKa | 1 » 0 |
| 4.35 | OCHEM | 1 » 0 |